(2Z)-3-Cyano-2-butenoic acid ethyl ester

Base Information

Chemical Name:(2Z)-3-Cyano-2-butenoic acid ethyl ester
CAS No.:40595-04-8
Molecular Formula:C₇H₉NO₂
Molecular Weight:139.154
Hs Code.:2926909090
NSC Number:112689
Nikkaji Number:J3.157.256H
Mol file:40595-04-8.mol

Synonyms:40595-04-8;(2Z)-3-Cyano-2-butenoic acid ethyl ester;NSC112689;NSC-112689

Suppliers and Price of (2Z)-3-Cyano-2-butenoic acid ethyl ester

Supply Marketing:

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

Manufacturers and distributors:

Manufacture/Brand
Chemicals and raw materials
Packaging
price

Total 4 raw suppliers

Chemical Property of (2Z)-3-Cyano-2-butenoic acid ethyl ester

Chemical Property:

Vapor Pressure:0.111mmHg at 25°C
Boiling Point:220.8°Cat760mmHg
Flash Point:93.8°C
PSA：50.09000
Density:1.035g/cm³
LogP:1.01938
XLogP3:0.8
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:3
Exact Mass:139.063328530
Heavy Atom Count:10
Complexity:197

Purity/Quality:: 99% ^*data from raw suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CCOC(=O)C=C(C)C#N
Isomeric SMILES:CCOC(=O)/C=C(/C)\C#N

Technology Process of (2Z)-3-Cyano-2-butenoic acid ethyl ester

There total 4 articles about (2Z)-3-Cyano-2-butenoic acid ethyl ester which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield:

: 557-21-1
zinc(II) cyanide

: 122135-84-6
ethyl (Z)-3-(((trifluoromethyl)sulfonyl)oxy)but-2-enoate

: 40595-04-8
(Z)-ethyl 3-cyanobut-2-enoate

Guidance literature:: With tetrakis(triphenylphosphine) palladium⁽⁰⁾; In N,N-dimethyl-formamide; at 70 ℃; for 15h; Inert atmosphere;
DOI:10.1021/jo302484p

Reference yield:

: 141-97-9
ethyl acetoacetate

: 40595-04-8
(Z)-ethyl 3-cyanobut-2-enoate

Guidance literature:: Multi-step reaction with 2 steps

1.1: tetramethyl ammoniumhydroxide / water; n-heptane / 0.75 h / 0 °C

1.2: 2 h / 0 °C

2.1: tetrakis(triphenylphosphine) palladium⁽⁰⁾ / N,N-dimethyl-formamide / 15 h / 70 °C / Inert atmosphere

With tetrakis(triphenylphosphine) palladium⁽⁰⁾; tetramethyl ammoniumhydroxide; In n-heptane; water; N,N-dimethyl-formamide;
DOI:10.1021/jo302484p